Reactivity of the free and (5,5)-carbon nanotube-supported AuPt bimetallic clusters towards O2 activation: a theoretical study-Reference-Cited by-同舟云学术

Reactivity of the free and (5,5)-carbon nanotube-supported AuPt bimetallic clusters towards O2 activation: a theoretical study

Published:2015 Issue:5 Volume:17 Page:3659-3672
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shojaei Fazel¹²³⁴,Mousavi Masoumeh¹²³⁴,Nazari Fariba¹²³⁴⁵,Illas Francesc⁶⁷⁸⁹

Affiliation:

1. Department of Chemistry

2. Institute for Advanced Studies in Basic Sciences

3. Zanjan 45137-66731

4. Iran

5. Center of Climate Change and Global Warming

6. Departament de Química Física & Institut de Química Teòrica i Computacional (IQTCUB)

7. Universitat de Barcelona

8. 08028 Barcelona

9. Spain

Abstract

Density functional theory (DFT)-based calculations were carried out to predict the geometry, energy and electronic structures of the small bimetallic Au_mPt_n (2 ≤ m + n ≤ 4) clusters deposited on a single-wall (5,5)-carbon nanotube (CNT).

Funder

Institució Catalana de Recerca i Estudis Avançats

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya

Ministerio de Economía y Competitividad

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05109B

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